| SpectraBase Spectrum ID |
2l7sCP7hf80 |
| Name |
LNAPS 16:2/N-8:0 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
619.348533931 u |
| Formula |
C30H54NO10P |
| InChI |
InChI=1S/C30H54NO10P/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-29(34)39-23-26(32)24-40-42(37,38)41-25-27(30(35)36)31-28(33)21-19-17-8-6-4-2/h7,9,11-12,26-27,32H,3-6,8,10,13-25H2,1-2H3,(H,31,33)(H,35,36)(H,37,38)/b9-7-,12-11- |
| InChIKey |
ZJVPGOGONQIWEK-BWGIOWMMNA-N |
| Ion Polarity |
N |
| Literature Reference |
Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163. |
| Literature Reference DOI |
https://doi.org/10.1038/s41587-020-0531-2 |
| Precursor Ion |
[M-H]- |
| SMILES |
CCCCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
